2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide

C15H12ClF3N2O — CID 4968842

IUPAC2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF3N2O/c1-8(20-10-4-2-9(16)3-5-10)15(22)21-12-7-6-11(17)13(18)14(12)19/h2-8,20H,1H3,(H,21,22)
InChIKeyPQORYTRBVCGMRB-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.20
Rot. Bonds4

About 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide

2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 4968842) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID4968842
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF3N2O/c1-8(20-10-4-2-9(16)3-5-10)15(22)21-12-7-6-11(17)13(18)14(12)19/h2-8,20H,1H3,(H,21,22)
InChIKeyPQORYTRBVCGMRB-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 7928461
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-(1,3-benzodioxol-5-ylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4780583
2-[(6-methoxy-3-pyridinyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 51113240
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
(2S)-2-(2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 30335335
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide (CID 4968842) is 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide is CC(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is PQORYTRBVCGMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c1-8(20-10-4-2-9(16)3-5-10)15(22)21-12-7-6-11(17)13(18)14(12)19/h2-8,20H,1H3,(H,21,22).
What are the key properties of 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide?
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 328.72 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 4968842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).